tert-butyl (2E)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-5-methyl-1,3-thiazole-3-carboxylate

Systemtic Name: tert-butyl (2E)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-5-methyl-1,3-thiazole-3-carboxylate Openeye Name: tert-butyl (2E)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-5-methyl-thiazole-3-carboxylate CAS Name: (2E)-2-[2-(4-bromophenyl)-3,3-dicyanoprop-2-enylidene]-5-methyl-3-thiazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-[2-(4-bromophenyl)-3,3-dicyanoprop-2-enylidene]-5-methyl-1,3-thiazole-3-carboxylate Traditional Name: (2E)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-5-methyl-4-thiazoline-3-carboxylic acid tert-butyl ester Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=CC(=C(C#N)C#N)C2=CC=C(C=C2)Br)S1)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CN(/C(=C\C(=C(C#N)C#N)C2=CC=C(C=C2)Br)/S1)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H18BrN3O2S/c1-13-12-24(19(25)26-20(2,3)4)18(27-13)9-17(15(10-22)11-23)14-5-7-16(21)8-6-14/h5-9,12H,1-4H3/b18-9+